SCHEMBL10399385

SCHEMBL10399385

CCCCC(C)CCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
PLA2G2C Q5R387 1/20 0.39
MCHR1 Q99705 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA1 P00915 2/20 0.38
PSMD10 O75832 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP24A1 Q07973 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
ALB P02768 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR2 P34972 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10398217 0.94 PLA2G2C (0.42) CA12CA2CA9PLA2G2CMCHR1
SCHEMBL19204919 0.94 CA12 (0.43) CA12CA2CA9PLA2G2CMCHR1
SCHEMBL8984218 0.94 CA12 (0.47) CA12CA2CA9PLA2G2CMCHR1
SCHEMBL10345660 0.90 CA12 (0.41) CA12CA2CA9CA1PSMD10
SCHEMBL8143786 0.90 CA12 (0.41) CA12CA2CA9CA1PSMD10
SCHEMBL9146743 0.90 CA12 (0.41) CA12CA2CA9CA1PSMD10
SCHEMBL8984191 0.89 CA12 (0.44) CA12CA2CA9PLA2G2CMCHR1
SCHEMBL27189122 0.87 CA2 (0.43) CA12CA2CA9PLA2G2CMCHR1
SCHEMBL10399240 0.87 CA12 (0.38) CA12CA2CA9CA1PSMD10
SCHEMBL10595387 0.87 CA12 (0.38) CA12CA2CA9CA1PSMD10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4956488-A Optically active cyanobiphenyl compound ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1990-09-11 US disclosed